3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione

C9H14N2O2S — CID 86262688

IUPAC3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione
SMILESNC1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C9H14N2O2S/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2
InChIKeySDLLBABUTGUKDC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds1

About 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione

3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione (PubChem CID 86262688) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione
PubChem CID86262688
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione
SMILESNC1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C9H14N2O2S/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2
InChIKeySDLLBABUTGUKDC-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione (CID 86262688) is 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione is NC1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is SDLLBABUTGUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2.
What are the key properties of 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione?
3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 214.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86262688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).